hexafluoroacetone

chemical compound

Class type of: ketone, perfluorinated compound, per- and polyfluoroalkyl substances Q416322

Facts

17 properties

Instance of: type of chemical entity
Subclass of: ketone, perfluorinated compound, per- and polyfluoroalkyl substances
Associated hazard: hexafluoroacetone exposure^[23]
Boiling point: -18, -27.45^[15]^[16]
Canonical SMILES: C(=O)(C(F)(F)F)C(F)(F)F^[5]
Chemical formula: C₃F₆O^[6]
Has effect: hexafluoroacetone exposure^[10]
Has part(s): carbon, oxygen, fluorine^[7]^[8]^[9]
Ionization energy: +11.81, +11.44^[18]^[19]
Mass: +165.985^[12]
Melting point: -188, -125^[13]^[14]
NIOSH Pocket Guide ID: 0319^[11]
On focus list of Wikimedia project: concrete/abstract disjunction anomalies^[25]
Safety classification and labelling: NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response^[24]
Subject has role: developmental toxicant, male reproductive toxicant^[21]^[22]
Time-weighted average exposure limit: +0.7^[20]
Vapor pressure: +5.8^[17]

🏷️ Also known as

en perfluoropropan-2-one en 1,1,1,3,3,3-hexafluoro-2-propanone en 6FK en (CF3)2CO en hexafluoro-2-propanone en hexafluoroacetone en hexafluoropropan-2-one en hexafluoropropanone en HFA en perfluoro-2-propanone en perfluoroacetone cs Hexafluoraceton fa هگزافلوئورواستون fa هگزافلورواستون fi heksafluoriasetoni fr C3F6O fr hexafluoroacétone fr hexafluoropropan-2-one hi हेक्साफ्लोरो-2-प्रोपेनोन ja ヘキサフルオロアセトン

🔖 Identifiers · 30

OpenAlex ID: C2780162798
CA PROP 65 ID: hexafluoroacetone
CAMEO Chemicals ID: 3566
CAS Registry Number: 684-16-2
ChEBI ID: 39429
ChemSpider ID: 13846015
DSSTOX compound identifier: DTXCID7023778
DSSTox substance ID: DTXSID9043778
EC number: 211-676-3
ECHA Substance Infocard ID: 100.010.616
Freebase ID: /m/0b7rzx
Gmelin number: 27263

Show all 30 identifiers +18

HSDB ID: 2896
Human Metabolome Database ID: HMDB0253131
ICSC ID: 1057
InChI: InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
InChIKey: VBZWSGALLODQNC-UHFFFAOYSA-N
MassBank accession ID: MSBNK-Fac_Eng_Univ_Tokyo-JP011286
Microsoft Academic ID (discontinued): 2780162798
NMRShiftDB structure ID: 60008599
NSC number: 202438
OSHA Occupational Chemical Database ID: 483
PubChem CID: 12695
RTECS number: UC2450000
Reaxys registry number: 607236
SPLASH: splash10-014i-9000000000-3f3d6b6a01fe1cfb62cf
SureChEMBL ID: 344
UNII: AKU9463N1Y
UniChem compound ID: 1104173
ZVG number: 490965

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections

Has part(s) 3

oxygen, carbon, fluorine

Subclass of 3

ketone, per- and polyfluoroalkyl substances, perfluorinated compound

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Summary

hexafluoroacetone is a type of chemical entity^[1]. hexafluoroacetone is a type of ketone^[2], perfluorinated compound^[3], and per- and polyfluoroalkyl substances^[4].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[5] ↑ hexafluoroacetone — canonical SMILES (P233): C(=O)(C(F)(F)F)C(F)(F)F. PubChem. Retrieved 2016-10-06. wikidata.org.
[6] ↑ hexafluoroacetone — chemical formula (P274): C₃F₆O. PubChem. Retrieved 2016-10-06. wikidata.org.
[2] ↑ hexafluoroacetone — subclass of (P279): ketone. wikidata.org.
[3] ↑ hexafluoroacetone — subclass of (P279): perfluorinated compound. wikidata.org.
[4] ↑ hexafluoroacetone — subclass of (P279): per- and polyfluoroalkyl substances. Advancing PFAS Detection through Machine Learning Prediction of 19 F NMR Spectra. wikidata.org.
[7] ↑ hexafluoroacetone — has part(s) (P527): carbon. wikidata.org.
[8] ↑ hexafluoroacetone — has part(s) (P527): oxygen. wikidata.org.
[9] ↑ hexafluoroacetone — has part(s) (P527): fluorine. wikidata.org.
[10] ↑ hexafluoroacetone — has effect (P1542): hexafluoroacetone exposure. cdc.gov. cdc.gov. Provenance: wikidata.org.
[11] ↑ hexafluoroacetone — NIOSH Pocket Guide ID (P1931): 0319. wikidata.org.
[12] ↑ hexafluoroacetone — mass (P2067): 165.985 dalton. PubChem. Retrieved 2016-10-06. wikidata.org.
[13] ↑ hexafluoroacetone — melting point (P2101): -188 degree Fahrenheit. cdc.gov. cdc.gov. Provenance: wikidata.org.
[14] ↑ hexafluoroacetone — melting point (P2101): -125 °C. Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.
[15] ↑ hexafluoroacetone — boiling point (P2102): -18 degree Fahrenheit. cdc.gov. cdc.gov. Provenance: wikidata.org.
[16] ↑ hexafluoroacetone — boiling point (P2102): -27.45 °C. Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.
[17] ↑ hexafluoroacetone — vapor pressure (P2119): 5.8 standard atmosphere. cdc.gov. cdc.gov. Provenance: wikidata.org.
[18] ↑ hexafluoroacetone — ionization energy (P2260): 11.81 electronvolt. cdc.gov. cdc.gov. Provenance: wikidata.org.
[19] ↑ hexafluoroacetone — ionization energy (P2260): 11.44 electronvolt. Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.
[20] ↑ hexafluoroacetone — time-weighted average exposure limit (P2404): 0.7 milligram per cubic metre. cdc.gov. cdc.gov. Provenance: wikidata.org.
[21] ↑ hexafluoroacetone — subject has role (P2868): developmental toxicant. California Proposition 65 list of chemicals. Retrieved 2020-02-26. oehha.ca.gov. Provenance: wikidata.org.
[22] ↑ hexafluoroacetone — subject has role (P2868): male reproductive toxicant. California Proposition 65 list of chemicals. Retrieved 2020-02-26. oehha.ca.gov. Provenance: wikidata.org.
[23] ↑ hexafluoroacetone — associated hazard (P3335): hexafluoroacetone exposure. wikidata.org.
[24] ↑ hexafluoroacetone — safety classification and labelling (P4952): NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response. wikidata.org.
[25] ↑ hexafluoroacetone — on focus list of Wikimedia project (P5008): concrete/abstract disjunction anomalies. wikidata.org.

Class ancestry

[1] ↑ hexafluoroacetone is an instance of type of chemical entity (Q113145171) [P31, primary]. Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA

4ort.xyz Knowledge Graph. (2026). hexafluoroacetone. Retrieved November 2, 2026, from https://4ort.xyz/entity/hexafluoroacetone

MLA “hexafluoroacetone.” 4ort.xyz Knowledge Graph, 4ort.xyz, 2 Nov. 2026, https://4ort.xyz/entity/hexafluoroacetone.

BibTeX

@misc{4ortxyz_hexafluoroacetone_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{hexafluoroacetone}}, year = {2026}, url = {https://4ort.xyz/entity/hexafluoroacetone}, note = {Accessed: 2026-11-02}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): hexafluoroacetone — https://4ort.xyz/entity/hexafluoroacetone (retrieved 2026-11-02)

Canonical URL: https://4ort.xyz/entity/hexafluoroacetone · Last refreshed: November 2, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

20w ago · JhealdBatch bot · 2026-06-16 view diff on Wikidata ↗

Associated hazard → hexafluoroacetone exposure

Boiling point → {'unit': 'Q42289', 'amount': '-18'}, {'unit': 'Q25267', 'amount': '-27.45'}

Subclass of → —

Melting point → {'unit': 'Q42289', 'amount': '-188'}, {'unit': 'Q25267', 'amount': '-125'}

+ 14 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update:0| */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/36807|batch #36807]]: tag for concrete/abstract disjunction anomaly"

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